CID 86645

3-(methoxymethoxy)androst-5-en-17-one

Structural Information

Molecular Formula
C21H32O3
SMILES
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OCOC)C
InChI
InChI=1S/C21H32O3/c1-20-10-8-15(24-13-23-3)12-14(20)4-5-16-17-6-7-19(22)21(17,2)11-9-18(16)20/h4,15-18H,5-13H2,1-3H3
InChIKey
JQWNLAOFJMUGBT-UHFFFAOYSA-N
Compound name
3-(methoxymethoxy)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

332.23514 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.242416 183.1
[M+Na]+ 355.224358 187.9
[M-H]- 331.227864 187.2
[M+NH4]+ 350.268963 205.5
[M+K]+ 371.198298 183.1
[M+H-H2O]+ 315.232400 176.2
[M+HCOO]- 377.233341 193.7
[M+CH3COO]- 391.248991 211.9
[M+Na-2H]- 353.209806 183.4
[M]+ 332.23459142 179.4
[M]- 332.23568858 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.